SCHEMBL9448804

SCHEMBL9448804

C=CCCOCCCCCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
HTT P42858 3/20 0.66
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 6/20 0.57
RARB P10826 4/20 0.56
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.53
PLA2G4A P47712 1/20 0.52
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9449081 0.94 ALDH1A1 (0.80) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL2622416 0.89 ALDH1A1 (0.88) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL4353031 0.89 ALDH1A1 (0.88) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL8379459 0.89 ALDH1A1 (0.88) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL13346213 0.89 ALDH1A1 (0.88) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL9448865 0.89 ALDH1A1 (0.88) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL1871410 0.88 ALDH1A1 (0.90) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL3313611 0.88 ALDH1A1 (0.84) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL9448792 0.87 ALDH1A1 (0.68) ALDH1A1L3MBTL1HTTTP53TSHR
SCHEMBL9503732 0.87 ALDH1A1 (0.68) ALDH1A1L3MBTL1HTTTP53TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243065-A Exhibit ferroelectricity; optoelectronics, display devices IDEMITSU KOSAN CO., LTD. (JP) 1993-09-07 US disclosed
EP-0362714-B1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-03-24 EP disclosed
US-5190687-A Polyepoxide or polyether polymers with ester groups that exhibit ferroelectricity with high speed response to electric fields IDEMITSU KOSAN CO., LTD. (JP) 1993-03-02 US disclosed
EP-0362714-A2 Liquid-crystalline compounds and liquid-crystalline polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-04-11 EP disclosed